| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:40 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202767 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16NO9P |
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| Molecular Mass | 373.0563 |
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| SMILES | O=C(O)c1c(C2OC(COP(=O)(O)O)C(O)C2O)[nH]c2ccccc12 |
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| InChI Key | MVFSHLJTVFUQDN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzenoidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolecarboxylic acids and derivativesindolesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrole carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | ethercarboxylic acidpyrrole-3-carboxylic acid or derivativespentose phosphateindolepentose-5-phosphatecarboxylic acid derivativedialkyl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compound1,2-diolindolecarboxylic acid derivativealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundindole or derivativesoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganic phosphoric acid derivativealkyl phosphate |
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